SCHEMBL23136253

SCHEMBL23136253

CC1CCc2cc(F)cc(F)c21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2B P41595 1/20 0.30
ACHE P22303 1/20 0.30
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19534592 0.82 SRD5A1 (0.31)
SCHEMBL24771285 0.82 SRD5A1 (0.31)
SCHEMBL31642721 0.81 HTR2A (0.32) HTR2AHTR2CKDM4ESMN1; SMN2CYP1A2
SCHEMBL29336269 0.81 MAPK1 (0.31) HTR2AHTR2CHTTHTR2BMAPK1
SCHEMBL3459720 0.76 CYP11B1 (0.38) HTR2AHTR2C
SCHEMBL326748 0.76 CYP11B1 (0.38) HTR2AHTR2C
SCHEMBL8614271 0.76 CYP11B1 (0.38) HTR2AHTR2C
SCHEMBL23135936 0.76 HTR2A (0.31) HTR2AHTR2C
SCHEMBL27539332 0.76 HTR1D (0.35) HTR2AHTR2CHTR1DHTR1B
Hydrochloric Acid SCHEMBL8614165 0.74 CYP11B1 (0.37) HTR2AHTR2CACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 WO disclosed